[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine

C14H18ClFN4S — CID 105236300

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(CSc1ccccc1F)NN
InChIInChI=1S/C14H18ClFN4S/c1-9(2)20-14(10(15)7-18-20)12(19-17)8-21-13-6-4-3-5-11(13)16/h3-7,9,12,19H,8,17H2,1-2H3
InChIKeyNJEPVESPIBWOPG-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.55
Rot. Bonds6

About [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine (PubChem CID 105236300) has the molecular formula C14H18ClFN4S and a molecular weight of 328.84 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
PubChem CID105236300
Molecular FormulaC14H18ClFN4S
Molecular Weight328.84 g/mol
Exact Mass328.09
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(CSc1ccccc1F)NN
InChIInChI=1S/C14H18ClFN4S/c1-9(2)20-14(10(15)7-18-20)12(19-17)8-21-13-6-4-3-5-11(13)16/h3-7,9,12,19H,8,17H2,1-2H3
InChIKeyNJEPVESPIBWOPG-UHFFFAOYSA-N
XLogP3.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
CID 114656047
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209054
[2-(2-fluorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105236220
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine (CID 105236300) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine is CC(C)n1ncc(Cl)c1C(CSc1ccccc1F)NN.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
The InChIKey is NJEPVESPIBWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4S/c1-9(2)20-14(10(15)7-18-20)12(19-17)8-21-13-6-4-3-5-11(13)16/h3-7,9,12,19H,8,17H2,1-2H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine has a molecular weight of 328.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105236300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).